CID 39445347
PubChem CID
39445347
Structure
Molecular Formula
Status
Non-live
Molecular Weight
310.2 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-[4-chloro-N-[(2-chlorophenyl)methyl]-2-methylanilino]ethylazanium
InChI=1S/C16H18Cl2N2/c1-12-10-14(17)6-7-16(12)20(9-8-19)11-13-4-2-3-5-15(13)18/h2-7,10H,8-9,11,19H2,1H3/p+1
QLLJNEOQLNMXLQ-UHFFFAOYSA-O
CC1=C(C=CC(=C1)Cl)N(CC[NH3+])CC2=CC=CC=C2Cl
C16H19Cl2N2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.2 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
309.0925290 g/mol
Property Name
Monoisotopic Mass
Property Value
309.0925290 g/mol
Property Name
Topological Polar Surface Area
Property Value
30.9 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
288
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS